2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan

C22H24O — CID 173340637

IUPAC2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan
SMILESCCC(C)c1cccc(Cc2ccco2)c1Cc1ccccc1
InChIInChI=1S/C22H24O/c1-3-17(2)21-13-7-11-19(16-20-12-8-14-23-20)22(21)15-18-9-5-4-6-10-18/h4-14,17H,3,15-16H2,1-2H3
InChIKeyZUDQEDADWHAMLM-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.97
Rot. Bonds6

About 2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan

2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan (PubChem CID 173340637) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan.

Molecular Properties

Compound Name2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan
PubChem CID173340637
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan
SMILESCCC(C)c1cccc(Cc2ccco2)c1Cc1ccccc1
InChIInChI=1S/C22H24O/c1-3-17(2)21-13-7-11-19(16-20-12-8-14-23-20)22(21)15-18-9-5-4-6-10-18/h4-14,17H,3,15-16H2,1-2H3
InChIKeyZUDQEDADWHAMLM-UHFFFAOYSA-N
XLogP5.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-amino-6-butan-2-ylphenyl)methyl]-3-butan-2-ylaniline
CID 18175359
1-butan-2-yl-2-(2-phenylethyl)benzene
CID 22235126
2-[(2-methylsulfanylphenyl)methyl]furan
CID 21387627
3-butan-2-ylpyran-2-thione
CID 166824548
N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
CID 959679
4-(furan-2-ylmethyl)-N,N-diphenylaniline
CID 135174405
2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan
CID 139920543
1-benzyl-2-propan-2-ylbenzene
CID 13215617
3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene
CID 173340893
CID 173406319
CID 173406319
1-benzyl-3-butan-2-ylbenzene
CID 15748559
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan?
The IUPAC name of 2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan (CID 173340637) is 2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan.
What is the SMILES notation for 2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan?
The canonical SMILES for 2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan is CCC(C)c1cccc(Cc2ccco2)c1Cc1ccccc1.
What is the InChIKey of 2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan?
The InChIKey is ZUDQEDADWHAMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O/c1-3-17(2)21-13-7-11-19(16-20-12-8-14-23-20)22(21)15-18-9-5-4-6-10-18/h4-14,17H,3,15-16H2,1-2H3.
What are the key properties of 2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan?
2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan has a molecular weight of 304.43 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan is sourced from PubChem (CID 173340637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).